Evidence map›Paper›PMID 25260586›Full record

ArticleNucleic acids research2014

μABC: a systematic microsecond molecular dynamics study of tetranucleotide sequence effects in B-DNA.

Marco Pasi, John H Maddocks, David Beveridge, Thomas C Bishop, David A Case, Thomas Cheatham, Pablo D Dans, B Jayaram, Filip Lankas, Charles Laughton and 9 more

Open access · goldAbstract read
In one paragraph

Article in Nucleic acids research, 2014. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 102 papers.

0numbers the graph read from it
0cells of the map it votes in
102citing papers in PubMed
9.0field-weighted citation impact, top 1% of its field
1 · What the graph read from it

What it found

Each row is one number read from the abstract, on the scale the paper reported it, with its interval. Left of the dashed line favours the treatment, right favours the comparator. Under each row is the sentence it came from. New to these charts? A ten-minute tutorial.

The abstract states no effect estimate the extractor could read, or names no intervention and outcome on the map, so this paper lights no cell and moves no belief. It is still indexed, cited and linked below.

2 · The registry

The trial behind it

Trials whose registry record cites this paper, or whose number appears in the abstract. A trial that started after this paper was published is citing it as background, not reporting it.

Neither the registry nor the abstract names a trial number. If this is a trial report, that itself is worth knowing.

3 · Its place in the literature

Who cites it

102 citing papers in PubMed, 213 citations in OpenAlex.

  1. hexABC seeking the physical code of DNA.Nature communications · 2026
    Article
  2. Article
  3. Inferring DNA Kinkability from Biased MD Simulations.Journal of chemical theory and computation · 2026
    Article
  4. Article
  5. Article
  6. Article
  7. Article
  8. Article
  9. Article
  10. Review
  11. Article
  12. Review
  13. Article
  14. Review
  15. Article
  16. Article
  17. Article
  18. Article
  19. Article
  20. Article

42 more citing papers are in PubMed but not listed here.

4 · The record

Corrections and comments

PubMed lists nothing against this paper. Absence here is not a guarantee, only a check that was made.

5 · Who and what money

Authors and funding

19 authors at 14 institutions in 7 countries.

Marco PasiSection de Mathématiques, Swiss Federal Institute of Technology (EPFL), CH-1015 Lausanne, Switzerland.
John H MaddocksSection de Mathématiques, Swiss Federal Institute of Technology (EPFL), CH-1015 Lausanne, Switzerland john.maddocks@epfl.ch.
David BeveridgeDepartment of Chemistry, Wesleyan University, Middletown, CT 06459, USA.
Thomas C BishopDepartments of Chemistry and Physics, Louisiana Tech University, Ruston, LA 71270, USA.
David A CaseBioMaPS Institute and Deptartment of Chemistry and Chemical Biology, Rutgers University, 610 Taylor Road, Piscataway, NJ 08854-8087, USA.
Thomas CheathamDepartment of Medicinal Chemistry, University of Utah, Skaggs 307, Salt Lake City, UT 84112, USA.
Pablo D DansJoint BSC-CRG-IRB Program on Computational Biology, Institute of Research in Biomedicine, Parc Científic de Barcelona, Josep Samitier 1-5, Barcelona 08028, Spain Barcelona Supercomputing Centre, Jordi Girona 31, Edifici Torre Girona, Barcelona 08034, Spain Departament de Bioquímica, Facultat de Biología, Avgda Diagonal 647, Barcelona 08028, Spain.
B JayaramDepartment of Chemistry, Indian Institute of Technology, Hauz Khas, New Delhi 110016, India.
Filip LankasInstitute of Organic Chemistry and Biochemistry, Academy of Sciences of the Czech Republic, Flemingovo nam. 2, 166 10 Praha 6, Czech Republic.
Charles LaughtonSchool of Pharmacy and Centre for Biomolecular Sciences, University of Nottingham, NG7 2RD, UK.
Jonathan MitchellSection de Mathématiques, Swiss Federal Institute of Technology (EPFL), CH-1015 Lausanne, Switzerland.
Roman OsmanDepartment of Structural and Chemical Biology, Mount Sinai School of Medicine, New York, NY 10029, USA.
Modesto OrozcoJoint BSC-CRG-IRB Program on Computational Biology, Institute of Research in Biomedicine, Parc Científic de Barcelona, Josep Samitier 1-5, Barcelona 08028, Spain Barcelona Supercomputing Centre, Jordi Girona 31, Edifici Torre Girona, Barcelona 08034, Spain Departament de Bioquímica, Facultat de Biología, Avgda Diagonal 647, Barcelona 08028, Spain.
Alberto PérezJoint BSC-CRG-IRB Program on Computational Biology, Institute of Research in Biomedicine, Parc Científic de Barcelona, Josep Samitier 1-5, Barcelona 08028, Spain Barcelona Supercomputing Centre, Jordi Girona 31, Edifici Torre Girona, Barcelona 08034, Spain Departament de Bioquímica, Facultat de Biología, Avgda Diagonal 647, Barcelona 08028, Spain.
Daiva PetkevičiūtėSection de Mathématiques, Swiss Federal Institute of Technology (EPFL), CH-1015 Lausanne, Switzerland.
Nada SpackovaInstitute of Biophysics, Academy of Sciences of the Czech Republic, Kralovopolska 135, 612 65 Brno, Czech Republic.
Jiri SponerInstitute of Biophysics, Academy of Sciences of the Czech Republic, Kralovopolska 135, 612 65 Brno, Czech Republic CEITEC-Central European Institute of Technology, Masaryk University, Campus Bohunice, Kamenice 5, 625 00 Brno, Czech Republic.
Krystyna ZakrzewskaBases Moléculaires et Structurales des Systèmes Infectieux, CNRS UMR 5086/Université Lyon I, IBCP, 7 Passage du Vercors, 69367 Lyon, France.
Richard LaveryBases Moléculaires et Structurales des Systèmes Infectieux, CNRS UMR 5086/Université Lyon I, IBCP, 7 Passage du Vercors, 69367 Lyon, France.
École Polytechnique Fédérale de Lausanne · CHStructural and Molecular Basis of Infectious Systems · FRUniversitat Politècnica de Catalunya · ESBarcelona Supercomputing Center · ESCzech Academy of Sciences · CZCzech Academy of Sciences, Institute of Biophysics · CZCzech Academy of Sciences, Institute of Organic Chemistry and Biochemistry · CZIcahn School of Medicine at Mount Sinai · USIndian Institute of Technology Delhi · INLouisiana Tech University · USRutgers, The State University of New Jersey · USUniversity of Nottingham · GBUniversity of Utah · USWesleyan University · US

Funding

Biomolecular simulation for the end-stage refinement of nucleic acid structureR01GM081411 · NIGMS · UNIVERSITY OF UTAH · PI CHEATHAM, THOMAS E. · 2008 to 2022
$2.7M
Biotechnology and Biological Sciences Research Council BB/L01386X/1NIGMS NIH HHS R-01 GM-081411
6 · The paper itself

Abstract

We present the results of microsecond molecular dynamics simulations carried out by the ABC group of laboratories on a set of B-DNA oligomers containing the 136 distinct tetranucleotide base sequences. We demonstrate that the resulting trajectories have extensively sampled the conformational space accessible to B-DNA at room temperature. We confirm that base sequence effects depend strongly not only on the specific base pair step, but also on the specific base pairs that flank each step. Beyond sequence effects on average helical parameters and conformational fluctuations, we also identify tetranucleotide sequences that oscillate between several distinct conformational substates. By analyzing the conformation of the phosphodiester backbones, it is possible to understand for which sequences these substates will arise, and what impact they will have on specific helical parameters.

Indexed as

Base PairingBase SequenceDNA, B-FormMolecular Dynamics SimulationNucleic Acid ConformationDNA, B-Form

Identifiers

PMID25260586
PMCPMC4231739
OpenAlexW2135184237

What OpenQuestion holds

Textmetadata
LicenceCC BY
Read underepoch 390

Registered trials

None linked

Read under generation 80e0d062 · epoch 390. Bibliography from PubMed, PubMed Central and OpenAlex; grants from NIH RePORTER; trial links from ClinicalTrials.gov; estimates, votes and beliefs from the OpenQuestion graph.